CID 3007930

Schembl14089882

Structural Information

Molecular Formula
C20H15N5O3
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C20H15N5O3/c26-25(27)14-4-1-12(2-5-14)17-7-8-18(28-17)20-23-15-6-3-13(11-16(15)24-20)19-21-9-10-22-19/h1-8,11H,9-10H2,(H,21,22)(H,23,24)
InChIKey
RLMNYIZUGWGTHV-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

373.1175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12478 180.0
[M+Na]+ 396.10672 186.8
[M-H]- 372.11022 189.2
[M+NH4]+ 391.15132 188.6
[M+K]+ 412.08066 177.3
[M+H-H2O]+ 356.11476 174.7
[M+HCOO]- 418.11570 198.7
[M+CH3COO]- 432.13135 204.9
[M+Na-2H]- 394.09217 182.9
[M]+ 373.11695 177.8
[M]- 373.11805 177.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.